[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] hexadecanoate

Systemtic Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] hexadecanoate Openeye Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] hexadecanoate CAS Name: hexadecanoic acid [1-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-3-pyrrolidinyl] ester IUPAC Name: [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] hexadecanoate Traditional Name: palmitic acid [1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]pyrrolidin-3-yl] ester Formula: C36H51F3N2O2S MolecularWeight: 632.86255

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C36H51F3N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-35(42)43-30-23-26-40(28-30)24-17-25-41-31-18-15-16-19-33(31)44-34-22-21-29(27-32(34)41)36(37,38)39/h15-16,18-19,21-22,27,30H,2-14,17,20,23-26,28H2,1H3